SCHEMBL1620340

SCHEMBL1620340

c1ccc(CNc2ncc3c(n2)CCNCC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.63
CHRM4 P08173 1/20 0.63
CHRM5 P08912 1/20 0.63
CHRM1 P11229 1/20 0.63
CHRM3 P20309 1/20 0.63
HTR2A P28223 1/20 0.63
HTR3A P46098 1/20 0.63
HTR6 P50406 1/20 0.63
HTR2B P41595 11/20 0.49
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
ATM Q13315 1/20 0.43
ACHE P22303 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1622249 0.88 HTR2C (0.66) HTR2CCHRM4CHRM5CHRM1CHRM3
SCHEMBL14990749 0.80 CDK5 (0.71) HTR2CCHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL28710898 0.79 ATM (0.44) HTR2CCHRM4CHRM5CHRM1CHRM3
SCHEMBL1620274 0.77 HTR2C (1.00) HTR2CCHRM4CHRM5CHRM1CHRM3
SCHEMBL1624015 0.77 HTR2C (1.00) HTR2CCHRM4CHRM5CHRM1CHRM3
SCHEMBL1623914 0.76 HTR2C (0.62) HTR2CCHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1622319 0.76 HTR2C (0.97) HTR2CCHRM4CHRM5CHRM1CHRM3
SCHEMBL30298460 0.75 CDK5 (0.47) HTR2CCDK5CDK5R1
SCHEMBL721292 0.72 PDGFRB (0.60) HTR2CCHRM4CHRM5CHRM1CHRM3
SCHEMBL1622742 0.72 HTR2C (0.59) HTR2CCHRM4CHRM5CHRM1CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
EP-2139896-A1 PYRIMIDO [4, 5-D]AZEPINE DERIVATIVES AS 5-HT2C AGONISTS Pfizer Limited (GB) 2010-01-06 EP disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A HTR2C 1/4885CHRM4 272/4885CHRM5 146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.